Molecular structures of phosphoryl fluoride, phosphoryl chloride, and thiophosphoryl chloride studied by gas electron diffraction

Kuchitsu, K.; Moritani, Tōhei; Morino, Yonezo

doi:10.1021/ic50096a025

Cited by 96 publications

(5 citation statements)

References 2 publications

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“…IR spectroscopy in inert gas matrices and calorimetric measurements were performed to characterize condensed POF 3 1–3. Structural data are only known for the gas phase 4 . Smitskamp , Olie , and Gerding reported an additional line in the Raman spectra of the analogous phosphoryl halogenides (PO X 3 , X = Br, Cl) 5.…”

Section: Introductionsupporting

confidence: 62%

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Oxidized Ores as Future Resource for Platinum Group Metals: Current State of Research

Kraemer

Junge

Bau

2016

Chemie Ingenieur Technik

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The platinum group elements (PGE), which are used in many high technology applications, are classified as critical metals by the EU. Therefore, research has to focus on potential alternative resources. Oxidized ores are found in the weathered zones of common sulfidic deposits, such as the Bushveld and the Great Dyke, and could be considered as potential future resources. The grades and reserves are high. However, due to geochemical and mineralogical changes induced by weathering, extraction of PGE is still limited and uneconomic. The current state of research on oxidized PGE ores in geosciences and processing is summarized.

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Section: Introductionsupporting

confidence: 62%

“…Raman spectra of phosphoryl fluoride were recorded in all three aggregation states (Figure 1). The lines of gaseous and liquid POF 3 are in agreement with the literature values 4,5…”

Section: Resultsmentioning

confidence: 99%

Oxidized Ores as Future Resource for Platinum Group Metals: Current State of Research

Kraemer

Junge

Bau

2016

Chemie Ingenieur Technik

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“…PSCl 3 is almost tetrahedral with PÐS 1.885 and PÐCl 2.011 A Ê (Â3), see Moritani et al (1971). The average PÐS distance of the PS4 tetrahedron is 2.06 (Nos.…”

Section: Application To Hetero-ligand Polyhedramentioning

confidence: 98%

“…When corrected bond distances for thermal motion are available, the corrected values are used. For molecules in the gas phase, two types of bond distance are measured: r e and r g (Kuchitsu, 1968(Kuchitsu, , 1971. r g is a more suitable measure for thè chemical bond distance' rather than r e .…”

Section: Figurementioning

confidence: 99%

A new relation between bond valence and bond distance

Mohri

2000

Acta Crystallogr Sect B

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A new empirical relationship s = s 0 (R 0 À !) 3 /(R À !) 3 between bond distances and bond valences is proposed, where s is the bond valence for the bond distance R, s 0 is the reference bond valence for the reference system with the reference bond distance R 0 and ! is the sum of the cation radii of bonding atoms de®ned by Pauling. Since ! is the size of the inner electron region, R À ! represents the valence electron region between bonding atoms. The new relationship was derived based on the following three hypotheses. (i) The number of electrons (p) in the volumes of (R À !) 3 in a coordination polyhedron are equal, even if the bond distances are not equal to each other. (ii) The average electron density p/(R À !) 3 is a measure of covalent bond strength. (iii) The sum of the average electron densities around the central atom is conserved, even if the coordination number changes. The new relationship is applicable not only to polyhedra with one type of ligand atom, but also to polyhedra with two or more types of ligand atoms and explains why the Brown±Shannon formula [Brown & Shannon (1973). Acta Cryst. A29, 266±282] and the Brown±Altermatt formula [Brown & Altermatt (1985). Acta Cryst. B41, 244±247] work well. The new relationship was applied to a penta-coordinated silicon compound, strong hydrogen-bond systems and some organic compounds with carbon±carbon bonds.

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“…The experimental geometries were taken from the NIST webbook. 51 For Cl 3 PS, the geometry was taken from a separate experiment. 52 The spin−orbit coupling effect is not included in the present calculation.…”

Section: Methodsmentioning

confidence: 99%

Core-Level 2s and 2p Binding Energies of Third-Period Elements (P, S, and Cl) Calculated by Hartree–Fock and Kohn–Sham ΔSCF Theory

Hirao,

Nakajima,

Chan

2023

J. Phys. Chem. A

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Molecular structures of phosphoryl fluoride, phosphoryl chloride, and thiophosphoryl chloride studied by gas electron diffraction

Cited by 96 publications

References 2 publications

Oxidized Ores as Future Resource for Platinum Group Metals: Current State of Research

Oxidized Ores as Future Resource for Platinum Group Metals: Current State of Research

A new relation between bond valence and bond distance

Core-Level 2s and 2p Binding Energies of Third-Period Elements (P, S, and Cl) Calculated by Hartree–Fock and Kohn–Sham ΔSCF Theory

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